>compound Vitexin_Vitexin
#instrument UPLC Q-Tof Premier, Waters
>formula C21H20O10
#smiles OC[C@H]([C@@H](O)4)O[C@H]([C@H](O)[C@@H](O)4)c(c(O)3)c(O1)c(c(O)c3)C(=O)C=C(c(c2)ccc(O)c2)1
#RECORD LC-ESI-QTOF_train_data/PR100820.txt;LC-ESI-QTOF_train_data/PR100370.txt
>charge -1
>ionization [M-H]-
>parentmass 431.09784

>collision 5-60
117.0356 777.5
283.0634 2672.0
311.0576 4115.0
341.0706 415.8
431.0978 2775.0

>collision 5-60
121.0309 406.1
255.0691 266.1
256.0766 224.9
283.0638 1290.0
284.0718 790.3
295.0643 303.0
297.0795 401.7
313.0744 1614.0
323.0946 368.2
337.0747 361.5
367.0856 300.7
379.0859 225.4
397.0957 589.2
415.1061 632.0
433.1134 1861.0

